1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone

C20H32N4O3 — CID 11417536

IUPAC1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1CC(=O)N1CCCC1C(=O)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C20H32N4O3/c1-13-8-6-9-14(2)24(13)12-16(25)23-11-7-10-15(23)17(26)18-21-22-19(27-18)20(3,4)5/h13-15H,6-12H2,1-5H3
InChIKeyMSGCKCOQSMEJSH-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.80
Rot. Bonds4

About 1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone

1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone (PubChem CID 11417536) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone
PubChem CID11417536
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1CC(=O)N1CCCC1C(=O)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C20H32N4O3/c1-13-8-6-9-14(2)24(13)12-16(25)23-11-7-10-15(23)17(26)18-21-22-19(27-18)20(3,4)5/h13-15H,6-12H2,1-5H3
InChIKeyMSGCKCOQSMEJSH-UHFFFAOYSA-N
XLogP2.80
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]ethanone
CID 11282177
methyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 124813786
1-[2-(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]-2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanone
CID 11211142
2-[(1-methoxy-2-methylpropan-2-yl)amino]-1-[2-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]ethanone
CID 11209540
2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]acetic acid
CID 6994012
2-(2,6-dimethyl(213C)azinan-1-yl)acetic acid
CID 91351477
tert-butyl (2S)-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 81003736
methyl 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 43410266
1-[[1-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 146104045
methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylate
CID 112603577
1-(aziridin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)ethanone
CID 130727537
methyl 1-[2-(4-acetamidotriazol-2-yl)acetyl]pyrrolidine-2-carboxylate
CID 112531510

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone (CID 11417536) is 1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone is CC1CCCC(C)N1CC(=O)N1CCCC1C(=O)c1nnc(C(C)(C)C)o1.
What is the InChIKey of 1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone?
The InChIKey is MSGCKCOQSMEJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-13-8-6-9-14(2)24(13)12-16(25)23-11-7-10-15(23)17(26)18-21-22-19(27-18)20(3,4)5/h13-15H,6-12H2,1-5H3.
What are the key properties of 1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone?
1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone has a molecular weight of 376.50 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 11417536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).